N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide

C24H31N5O4 — CID 31842412

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O4/c1-14(2)12-28(20-21(25)29(13-15(3)4)24(32)27-22(20)31)19(30)11-18-16(5)33-23(26-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13,25H2,1-5H3,(H,27,31,32)
InChIKeyXJJNTOYBYZGWOY-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.97
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide (PubChem CID 31842412) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
PubChem CID31842412
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O4/c1-14(2)12-28(20-21(25)29(13-15(3)4)24(32)27-22(20)31)19(30)11-18-16(5)33-23(26-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13,25H2,1-5H3,(H,27,31,32)
InChIKeyXJJNTOYBYZGWOY-UHFFFAOYSA-N
XLogP2.97
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4791309
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N,3-bis(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55340731
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 32995085
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8016898
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30137063
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide
CID 24979633
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 27159037

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide (CID 31842412) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is XJJNTOYBYZGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-14(2)12-28(20-21(25)29(13-15(3)4)24(32)27-22(20)31)19(30)11-18-16(5)33-23(26-18)17-9-7-6-8-10-17/h6-10,14-15H,11-13,25H2,1-5H3,(H,27,31,32).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 31842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).